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NDB

CAT: 0013-GTR19186279Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186279Size:1 mg
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Description
NDB is a potent and selective antagonist of the human farnesoid X receptor alpha (hFXRα) . It effectively blocks GW4064-induced FXR/RXR heterodimerization and suppresses FXR target gene expression in primary mouse hepatocytes, making it a valuable research tool for studying metabolic diseases such as diabetes in both in vitro and in vivo models.
CAS Number
1660153-08-1
Product Name Alternative
FXR
Field of Research
Metabolism Research
Purity
98.94% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:3.3 mg/mL (7 mM) ; DMSO:80 mg/mL (169.7 mM)
Smiles
CN (C) c1cc (Cl) c (C (=O) N (Cc2ccccc2) c2ccc (O) c (c2) C (C) (C) C) c (Cl) c1
Molecular Formula
C26H28Cl2N2O2
Molecular Weight
471.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Benzyl-N-(3-Tert-Butyl-4-Hydroxyphenyl)-2,6-Dichloro-4-(Dimethylamino)benzamide
CAS Number1660153-08-1
PubChem CID91664002
IUPAC NameN-benzyl-N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide
Molecular FormulaC26H28Cl2N2O2
Molecular Weight471.4
XLogP7.1
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity605
SMILES
CC(C)(C)C1=C(C=CC(=C1)N(CC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3Cl)N(C)C)Cl)O
InChI
InChI=1S/C26H28Cl2N2O2/c1-26(2,3)20-13-18(11-12-23(20)31)30(16-17-9-7-6-8-10-17)25(32)24-21(27)14-19(29(4)5)15-22(24)28/h6-15,31H,16H2,1-5H3
InChIKey
IDACWMHIKWNAEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Benzyl-N-(3-Tert-Butyl-4-Hydroxyphenyl)-2,6-Dichloro-4-(Dimethylamino)benzamide
CAS: 1660153-08-1
CID: 91664002
Formula: C26H28Cl2N2O2
MW: 471.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.4
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass470.1527835
Monoisotopic Mass470.1527835
Topological Polar Surface Area43.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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